1-(1-benzothiophen-2-ylmethyl)-2,5-dimethylpiperazine

C15H20N2S — CID 120906114

IUPAC1-(1-benzothiophen-2-ylmethyl)-2,5-dimethylpiperazine
SMILESCC1CN(Cc2cc3ccccc3s2)C(C)CN1
InChIInChI=1S/C15H20N2S/c1-11-9-17(12(2)8-16-11)10-14-7-13-5-3-4-6-15(13)18-14/h3-7,11-12,16H,8-10H2,1-2H3
InChIKeyJEAIETSTIMMNET-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.08
Rot. Bonds2

About 1-(1-benzothiophen-2-ylmethyl)-2,5-dimethylpiperazine

1-(1-benzothiophen-2-ylmethyl)-2,5-dimethylpiperazine (PubChem CID 120906114) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-ylmethyl)-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-ylmethyl)-2,5-dimethylpiperazine
PubChem CID120906114
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name1-(1-benzothiophen-2-ylmethyl)-2,5-dimethylpiperazine
SMILESCC1CN(Cc2cc3ccccc3s2)C(C)CN1
InChIInChI=1S/C15H20N2S/c1-11-9-17(12(2)8-16-11)10-14-7-13-5-3-4-6-15(13)18-14/h3-7,11-12,16H,8-10H2,1-2H3
InChIKeyJEAIETSTIMMNET-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-ylmethyl)-2,5-dimethylpiperazine?
The IUPAC name of 1-(1-benzothiophen-2-ylmethyl)-2,5-dimethylpiperazine (CID 120906114) is 1-(1-benzothiophen-2-ylmethyl)-2,5-dimethylpiperazine.
What is the SMILES notation for 1-(1-benzothiophen-2-ylmethyl)-2,5-dimethylpiperazine?
The canonical SMILES for 1-(1-benzothiophen-2-ylmethyl)-2,5-dimethylpiperazine is CC1CN(Cc2cc3ccccc3s2)C(C)CN1.
What is the InChIKey of 1-(1-benzothiophen-2-ylmethyl)-2,5-dimethylpiperazine?
The InChIKey is JEAIETSTIMMNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11-9-17(12(2)8-16-11)10-14-7-13-5-3-4-6-15(13)18-14/h3-7,11-12,16H,8-10H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-ylmethyl)-2,5-dimethylpiperazine?
1-(1-benzothiophen-2-ylmethyl)-2,5-dimethylpiperazine has a molecular weight of 260.41 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-ylmethyl)-2,5-dimethylpiperazine is sourced from PubChem (CID 120906114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).